2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane

C14H26O3 — CID 91028448

IUPAC2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane
SMILESCC(C)C.O=C(OCCO)C1CC2CCC1C2
InChIInChI=1S/C10H16O3.C4H10/c11-3-4-13-10(12)9-6-7-1-2-8(9)5-7;1-4(2)3/h7-9,11H,1-6H2;4H,1-3H3
InChIKeyKQXQEKVGJSGSPR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.62
Rot. Bonds3

About 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane

2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane (PubChem CID 91028448) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane.

Molecular Properties

Compound Name2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane
PubChem CID91028448
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane
SMILESCC(C)C.O=C(OCCO)C1CC2CCC1C2
InChIInChI=1S/C10H16O3.C4H10/c11-3-4-13-10(12)9-6-7-1-2-8(9)5-7;1-4(2)3/h7-9,11H,1-6H2;4H,1-3H3
InChIKeyKQXQEKVGJSGSPR-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(2-hydroxyethyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 66984791
2-[(4S)-bicyclo[2.2.1]heptane-2-carbonyl]oxyethyl-ethyl-dipropylazanium
CID 155170635
4-(bicyclo[2.2.1]heptane-2-carbonyloxy)butane-1-sulfonic acid
CID 59360444
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 59204120
[bicyclo[2.2.1]heptane-2-carbonyloxy(methoxy)methyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 20702523
2-(4-bromophenoxy)ethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 55449824
2-(2H-triazol-4-yl)ethyl (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98768095
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
[(1S)-1-cyclopropyl-2-methoxy-2-oxoethyl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98875372
[(2R)-1-(methanesulfonamido)propan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98787940
1-(methanesulfonamido)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate
CID 71851835

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane?
The IUPAC name of 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane (CID 91028448) is 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane.
What is the SMILES notation for 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane?
The canonical SMILES for 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane is CC(C)C.O=C(OCCO)C1CC2CCC1C2.
What is the InChIKey of 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane?
The InChIKey is KQXQEKVGJSGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.C4H10/c11-3-4-13-10(12)9-6-7-1-2-8(9)5-7;1-4(2)3/h7-9,11H,1-6H2;4H,1-3H3.
What are the key properties of 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane?
2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane has a molecular weight of 242.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane is sourced from PubChem (CID 91028448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).